CID 58982303

C19H38NO3 — CID 58982303

IUPAC—
SMILESCCCCOC1(OCCCC)CC(C)(C)N([O])C(CC)(CC)C1
InChIInChI=1S/C19H38NO3/c1-7-11-13-22-19(23-14-12-8-2)15-17(5,6)20(21)18(9-3,10-4)16-19/h7-16H2,1-6H3
InChIKeyUDWMYZXGRPHMFN-UHFFFAOYSA-N
MW328.52 g/mol
LogP5.09
Rot. Bonds10

About CID 58982303

CID 58982303 (PubChem CID 58982303) has the molecular formula C19H38NO3 and a molecular weight of 328.52 g/mol.

Molecular Properties

Compound NameCID 58982303
PubChem CID58982303
Molecular FormulaC19H38NO3
Molecular Weight328.52 g/mol
Exact Mass328.29
IUPAC Name—
SMILESCCCCOC1(OCCCC)CC(C)(C)N([O])C(CC)(CC)C1
InChIInChI=1S/C19H38NO3/c1-7-11-13-22-19(23-14-12-8-2)15-17(5,6)20(21)18(9-3,10-4)16-19/h7-16H2,1-6H3
InChIKeyUDWMYZXGRPHMFN-UHFFFAOYSA-N
XLogP5.09
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.52
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58982303?
The IUPAC name of CID 58982303 (CID 58982303) is not available.
What is the SMILES notation for CID 58982303?
The canonical SMILES for CID 58982303 is CCCCOC1(OCCCC)CC(C)(C)N([O])C(CC)(CC)C1.
What is the InChIKey of CID 58982303?
The InChIKey is UDWMYZXGRPHMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38NO3/c1-7-11-13-22-19(23-14-12-8-2)15-17(5,6)20(21)18(9-3,10-4)16-19/h7-16H2,1-6H3.
What are the key properties of CID 58982303?
CID 58982303 has a molecular weight of 328.52 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58982303 is sourced from PubChem (CID 58982303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).